N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide

C16H24N2O4S — CID 110292661

IUPACN-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(20)18-14-5-7-15(8-6-14)23(21,22)17-11-16(12-19)9-3-2-4-10-16/h5-8,17,19H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyRMBSLNBNTUEXSP-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.87
Rot. Bonds6

About N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 110292661) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
PubChem CID110292661
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(20)18-14-5-7-15(8-6-14)23(21,22)17-11-16(12-19)9-3-2-4-10-16/h5-8,17,19H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyRMBSLNBNTUEXSP-UHFFFAOYSA-N
XLogP1.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631466
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide (CID 110292661) is N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)cc1.
What is the InChIKey of N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is RMBSLNBNTUEXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(20)18-14-5-7-15(8-6-14)23(21,22)17-11-16(12-19)9-3-2-4-10-16/h5-8,17,19H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).